Information card for entry 1552705

Structure parameters

• Formula: C31 H51 N O2
• Calculated formula: C31 H51 N O2
• SMILES: O1[C@@H]2[C@@H]3[C@H]4CC[C@H]5[C@@](CC[C@H]6C(/C(=N/OC)CC[C@]56C)(C)C)([C@@]4(CC[C@]3(CCC2(C)C)C1)C)C
• Title of publication: Diastereoselective Synthesis of Triterpenoid 1,2,4-Trioxolanes by Griesbaum Co-ozonolysis.
• Authors of publication: Kazakova, Oxana B.; Khusnutdinova, Elmira F.; Petrova, Anastasiya V.; Yamansarov, Emil Yu; Lobov, Alexander N.; Fedorova, Alexandra A.; Suponitsky, Kyrill Yu
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 2550 - 2558
• a: 6.4002 ± 0.0003 Å
• b: 7.3244 ± 0.0004 Å
• c: 15.8163 ± 0.0009 Å
• α: 76.713 ± 0.001°
• β: 85.687 ± 0.001°
• γ: 65.123 ± 0.001°
• Cell volume: 654.44 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No